SCHEMBL8565136

SCHEMBL8565136

CC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
CA7 P43166 1/20 0.45
MMP2 P08253 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ADAMTS4 O75173 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TYR P14679 1/20 0.39
GAA P10253 2/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3196493 0.85 MMP2 (0.59) CA1CA2CA4CA9CA7
SCHEMBL3188052 0.85 MMP2 (0.59) CA1CA2CA4CA9CA7
SCHEMBL8562818 0.83 CA1 (0.49) CA1CA2CA4CA9CA7
SCHEMBL8566213 0.83 CA1 (0.49) CA1CA2CA4CA9CA7
SCHEMBL2340965 0.82 CA2 (0.54) CA1CA2CA4CA9CA7
SCHEMBL2338365 0.82 CA2 (0.54) CA1CA2CA4CA9CA7
SCHEMBL2338361 0.82 CA2 (0.54) CA1CA2CA4CA9CA7
SCHEMBL6361881 0.82 CA1 (0.56) CA1CA2CA4CA9CA7
SCHEMBL8559447 0.81 PTAFR (0.55) CA1CA2CA4CA9CA7
SCHEMBL8581203 0.78 CA1 (0.44) CA1CA2CA4CA9CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605434-B1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARM (GB) 1998-08-19 EP disclosed
US-5741794-A PLATELET ACTIVATING FACTOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-21 US disclosed
US-5446032-A Platelet activsating factor antagonist BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-08-29 US disclosed
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP disclosed
EP-0605434-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO disclosed
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed
WO-1993002080-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-04 WO disclosed